Modafinil

Modafinil

SCHEMBL193837

ClC(Cl)Cl.NC(=O)C[S+]([O-])C(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

SLC6A3

The experimentally established mechanism targets of Modafinil. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 known ✓ Q01959 3/20 0.40
CYP2D6 P10635 2/20 0.41
CYP1A2 P05177 1/20 0.41
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
EPHX1 P07099 1/20 0.41
CYP2C19 P33261 3/20 0.40
DRD3 P35462 2/20 0.40
LMNA P02545 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
EDNRB P24530 1/20 0.40
MAPK1 P28482 1/20 0.40
MC4R P32245 1/20 0.40
MC3R P41968 1/20 0.40
DRD2 P14416 1/20 0.40
BCAT2 O15382 1/20 0.37
CES2 O00748 2/20 0.36
CES1 P23141 2/20 0.36
GABBR2 O75899 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Armodafinil SCHEMBL34489 0.95 CYP2D6 (0.44) CYP2D6CYP1A2PKMSMN1; SMN2NPSR1
Modafinil SCHEMBL1560974 0.95 CYP2D6 (0.44) CYP2D6CYP1A2PKMSMN1; SMN2NPSR1
(S)-Modafinil SCHEMBL1403524 0.95 CYP2D6 (0.44) CYP2D6CYP1A2PKMSMN1; SMN2NPSR1
Modafinil SCHEMBL34488 0.95 CYP2D6 (0.44) CYP2D6CYP1A2PKMSMN1; SMN2NPSR1
Modafinil SCHEMBL3238686 0.95 CYP2D6 (0.44) CYP2D6CYP1A2PKMSMN1; SMN2NPSR1
Modafinil SCHEMBL3908867 0.92 EPHX1 (0.42) CYP2D6CYP1A2PKMSMN1; SMN2NPSR1
Modafinil SCHEMBL5031196 0.90 CYP1A2 (0.39) CYP2D6CYP1A2PKMSMN1; SMN2NPSR1
Modafinil SCHEMBL3914634 0.90 PKM (0.41) CYP2D6CYP1A2PKMSMN1; SMN2NPSR1
Modafinil SCHEMBL19025521 0.90 PKM (0.41) CYP2D6CYP1A2PKMSMN1; SMN2NPSR1
Modafinil SCHEMBL3921259 0.90 PKM (0.41) CYP2D6CYP1A2PKMSMN1; SMN2NPSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4718177-B2 2011-07-06 JP claimed
US-7405323-B2 Modafinil polymorphic forms CEPHALON FRANCE (FR) 2008-07-29 US claimed
US-20060252835-A1 treatment of sleep disorders with five novel polymorphic forms of modafinil racemate called CRL 40476 form III, CRL 40476 form IV, CRL 40476 form V, CRL 40476 form VI, CRL 40476 form VII; preparing a new solvate of modafinil comprising dissolving in solvent and crystallizing CEPHALON FRANCE (FR) 2006-11-09 US claimed
JP-2005535698-A 2005-11-24 JP claimed
CN-1675177-A Modafinil polymorphic forms CEPHALON FRANCE (FR) 2005-09-28 CN claimed
EP-1575915-A1 MODAFINIL POLYMORPHIC FORMS CEPHALON FRANCE (FR) 2005-09-21 EP claimed
US-20040102523-A1 Modafinil polymorphic forms TEVA SANTE (FR) 2004-05-27 US claimed
WO-2004014846-A1 MODAFINIL POLYMORPHIC FORMS CEPHALON FRANCE (FR) 2004-02-19 WO claimed
CN-102875429-B Modafinil polymorphic forms CEPHALON FRANCE 2014-12-10 CN disclosed
CN-101619033-B Modafinil polymorphic forms CEPHALON FRANCE 2013-07-31 CN disclosed
CN-102875429-A Modafinil polymorphic forms CEPHALON FRANCE 2013-01-16 CN disclosed
CN-102875430-A Modafinil polymorphic forms CEPHALON FRANCE 2013-01-16 CN disclosed
EP-2402311-A1 Modafinil polymorphic form VI CEPHALON FRANCE (FR) 2012-01-04 EP disclosed
US-7649020-B2 Modafinil polymorphic forms CEPHALON FRANCE (FR) 2010-01-19 US disclosed
US-6992219-B2 Modafinil polymorphic forms CEPHALON FRANCE (FR) 2006-01-31 US disclosed
CN-1675177-A Modafinil polymorphic forms CEPHALON FRANCE (FR) 2005-09-28 CN disclosed
EP-1575915-A1 MODAFINIL POLYMORPHIC FORMS CEPHALON FRANCE (FR) 2005-09-21 EP disclosed
WO-2005077894-A1 MODAFINIL COMPOSITIONS CEPHALON, INC. (US) 2005-08-25 WO disclosed
US-20040102523-A1 Modafinil polymorphic forms TEVA SANTE (FR) 2004-05-27 US disclosed
WO-2004014846-A1 MODAFINIL POLYMORPHIC FORMS CEPHALON FRANCE (FR) 2004-02-19 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060252835-A1 treatment of sleep disorders with five novel polymorphic forms of modafinil racemate called CRL 40476 form III, CRL 40476 form IV, CRL 40476 form V, CRL 40476 form VI, CRL 40476 form VII; preparing a new solvate of modafinil comprising dissolving in solvent and crystallizing CYP4F11, NR1D1, CYP4F3 SLC6A3 302/4885CYP2D6 11/4885CYP1A2 160/4885
US-20040102523-A1 Modafinil polymorphic forms GRIN3A, GRIN3B, COMT SLC6A3 23/4885CYP2D6 51/4885CYP1A2 200/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.